SCHEMBL22019708

SCHEMBL22019708

Cc1c(C(F)(F)F)nc2c(c1C)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 4/20 0.38
ACHE P22303 5/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BPTF Q12830 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22021534 0.87 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1
SCHEMBL22010514 0.84 ACHE (0.50) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1
SCHEMBL30162576 0.84 ACHE (0.50) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1
SCHEMBL22020718 0.84 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1
SCHEMBL24977966 0.82 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1
SCHEMBL22020719 0.81 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1
SCHEMBL24977994 0.81 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1
SCHEMBL22020099 0.81 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1
SCHEMBL22019782 0.81 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1
SCHEMBL22019783 0.80 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1KDM4EACHEMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020154499-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed